Dear all,
I know that the x-ray absorption spectra are calculated for the dipole allowed
transitions, generating matrix elements, which are multipliedwith a radial
transition probability and the partial densities of states as explained in the
userguide.
But I want to know more detailed principles employed in Wien2k. However, the
references in userguide seem too old to find out.
Here are the references mentioned in userguide:
Schwarz K., Neckel A and Nordgren J, J.Phys.F:Metal Phys. 9, 2509 (1979)
Schwarz K., andWimmer E, J.Phys.F:Metal Phys. 10, 1001 (1980)
Neckel A., Schwarz K., Eibler R. and Rastl P. 1975 Microchim.Acta, Suppl.6, 257.
Can anybody help me about the references above or recommend some other
references about the principles used in Wien2k?
I will highly appreciate your help.
Best regards.
LiLy
lily_physics at yahoo.com.sg
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